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Triethanolamine 3TFA
SpectraBase Compound ID 43mV0SICt5r
InChI InChI=1S/C12H12F9NO6/c13-10(14,15)7(23)26-4-1-22(2-5-27-8(24)11(16,17)18)3-6-28-9(25)12(19,20)21/h1-6H2
InChIKey JRKLOANAMREFAQ-UHFFFAOYSA-N
Mol Weight 437.21 g/mol
Molecular Formula C12H12F9NO6
Exact Mass 437.052091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTZLynBqtWW
Name Triethanolamine 3TFA
CAS Registry Number 827342-69-8
Classification Chemical warfare precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 437.052090571 u
Formula C12H12F9NO6
InChI InChI=1S/C12H12F9NO6/c13-10(14,15)7(23)26-4-1-22(2-5-27-8(24)11(16,17)18)3-6-28-9(25)12(19,20)21/h1-6H2
InChIKey JRKLOANAMREFAQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 437.215 g/mol
Nominal Mass 437 u
Quality 973
Retention Index 1298
SMILES C(C(F)(F)F)(OCCN(CCOC(C(F)(F)F)=O)CCOC(C(F)(F)F)=O)=O
SPLASH splash10-01ox-7908000000-23796db4f19e976823ae
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Triethylolamine 3TFA Trolamine 3TFA N,N,N-Tris(2-trifluoroacetoxyethyl)amine
Technique GC/MS
Wiley ID DD2024_025604